Chemical Properties of Droperidol (CAS 548-73-2)

InChI

InChI=1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)

InChI Key

RMEDXOLNCUSCGS-UHFFFAOYSA-N

Formula

C22H22FN3O2

SMILES

O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1

Molecular Weight¹

379.43

CAS

548-73-2

Other Names

• 2H-Benzimidazol-2-one, 1-[1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-
• 2-Benzimidazolinone, 1-[1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-pyridyl]-
• Dehydrobenzperidol
• Dridol
• Droleptan
• Inapsin
• Inapsine
• Inopsin
• McN-JR 4749
• R 4749
• Sintodril
• Deidrobenzperidolo
• DHBP
• Halkan
• Inappin
• Innovan
• Inoval
• Properidol
• Sintosian
• Vetkalm
• 1-(1-(3-(p-Fluorobenzoyl)propyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
• 1-(1-(4-(p-Fluorophenyl)-4-oxobutyl)-1,2,3,6-tetrahydro-4-pyridyl)-2-benzimidazolinone
• NSC 169874
• Neurolidol

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8613		Relay (... Calculated Property
ΔfG°	200.61	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-194.60	kJ/mol	Relay (... Calculated Property
ΔvapH°	147.24	kJ/mol	Relay (... Calculated Property
IE	7.80	eV	Relay (... Calculated Property
log10WS	-4.02		Relay (... Calculated Property
logPoct/wat	3.197		Crippen Calculated Property
McVol	282.150	ml/mol	McGowan Calculated Property
Pc	1504.69	kPa	Relay (... Calculated Property ⚠️
Inp	[3376.00; 3430.00]
Inp	3402.00		NIST
Inp	3376.00		NIST
Inp	3430.00		NIST
Inp	3376.00		NIST
Inp	3402.00		NIST
Tboil	744.81	K	Relay (... Calculated Property
Tc	1089.59	K	Relay (... Calculated Property
Tfus	451.20	K	Relay (... Calculated Property
Vc	1.023	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Droperidol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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